⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL10612122 | 0.90 | — | — | |
| SCHEMBL1200848 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL32678 | 0.89 | — | — | |
| Isobutyraldehyde SCHEMBL2872927 | 0.87 | ALDH1A1 (0.37) | — | |
| Formaldehyde SCHEMBL23142310 | 0.85 | — | — | |
| SCHEMBL11125850 | 0.85 | ALDH1A1 (0.47) | — | |
| Methyl Alcohol SCHEMBL6914031 | 0.85 | — | — | |
| SCHEMBL11551884 | 0.85 | — | — | |
| Methane SCHEMBL756364 | 0.85 | — | — | |
| Water SCHEMBL23879217 | 0.85 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7087147-B2 | Electroactive catalysis | ROHM AND HAAS COMPANY (US) | 2006-08-08 | — | — | US | disclosed |
| US-7001500-B2 | Electroactive catalysis | ROHM AND HAAS COMPANY (US) | 2006-02-21 | — | — | US | disclosed |
| EP-1312411-A2 | Electroactive catalysis | ROHM AND HAAS COMPANY (US) | 2003-05-21 | — | — | EP | disclosed |
| US-6090977-A | COMBUSTIBLE CONSTITUENTS OF THE INERT DILUENT GAS PRESENT IN THE PRODUCT GAS STREAM LEAVING THE OXIDATION REACTOR ARE NOT RECIRCULATED TO THE HETEROGENEOUSLY CATALYZED GAS-PHASE PARTIAL OXIDATION, BUT ARE PUT TO FURTHER USE | BASF AKTIENGESELLSCHAFT (DE) | 2000-07-18 | — | — | US | disclosed |